5-chloranyl-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]-N-(4-ethynylphenyl)benzamide

Systemtic Name: 5-chloranyl-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]-N-(4-ethynylphenyl)benzamide Openeye Name: 5-chloro-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-N-(4-ethynylphenyl)benzamide CAS Name: 5-chloro-2-[[[4-[dimethylamino(imino)methyl]phenyl]-oxomethyl]amino]-N-(4-ethynylphenyl)benzamide IUPAC Name: 5-chloro-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-N-(4-ethynylphenyl)benzamide Traditional Name: 5-chloro-2-[[4-(N,N-dimethylamidino)benzoyl]amino]-N-(4-ethynylphenyl)benzamide Formula: C25H21ClN4O2 MolecularWeight: 444.91284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#C

Isomeric SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#C

InChI

InChI=1S/C25H21ClN4O2/c1-4-16-5-12-20(13-6-16)28-25(32)21-15-19(26)11-14-22(21)29-24(31)18-9-7-17(8-10-18)23(27)30(2)3/h1,5-15,27H,2-3H3,(H,28,32)(H,29,31)